AC1O5SBJ
(2E,4E,6E)-8-(4-methoxy-2,3,6-trimethylphenyl)sulfanyl-3,7-dimethylocta-2,4,6-trienoic acid
Also Known As: Ro 21-6667|Ro-21-6667|2,4,6-Octatrienoic acid, 8-((4-methoxy-2,3,6-trimethylphenyl)thio)-3,7-dimethyl-, (E,E,E)-|(2E,4E,6E)-8-(2,3,6-Trimethyl-4-methoxyphenylthio)-3,7-dimethyl-2,4,6-octatrienoic acid|(2E,4E,6E)-8-(4-methoxy-2,3,6-trimethylphenyl)sulfanyl-3,7-dimethylocta-2,4,6-trienoic acid|(2E,4E,6E)-8-[(4-methoxy-2,3,6-trimethylphenyl)sulfanyl]-3,7-dimethylocta-2,4,6-trienoic acid
| Molecular Formula | C20H26O3S |
|---|---|
| Molecular Weight | 346.16028 g/mol |
| LogP | 5.24596 |
| Topological Polar Surface Area | 46.53 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 346.16028 |
| Monoisotopic Mass | 346.16028 |
| Heavy Atoms | 24 |
| Complexity | 697.3258 |
Chemical Identifiers
| CAS Number | 66775-62-0 |
|---|---|
| SMILES | CC1=CC(=C(C(=C1SC/C(=C/C=C/C(=C/C(=O)O)/C)/C)C)C)OC |
Product Overview
AC1O5SBJ (CAS 66775-62-0), with molecular formula C20H26O3S and molecular weight 346.16028 g/mol. IUPAC: (2E,4E,6E)-8-(4-methoxy-2,3,6-trimethylphenyl)sulfanyl-3,7-dimethylocta-2,4,6-trienoic acid.
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